methyl 3-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C18H20N4O4S/c1-21(10-5-9-19)15(23)12-27-18-20-14-7-4-3-6-13(14)17(25)22(18)11-8-16(24)26-2/h3-4,6-7H,5,8,10-12H2,1-2H3